Name: WR99210 hydrochloride(47326-86-3 free base)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT213840443
Cas No:30711-93-4
常用名:WR99210 hydrochloride(47326-86-3 free base)
常用名:WR99210 hydrochloride(47326-86-3 free base)
别名:WR99210 hydrochloride(47326-86-3 free base), 6,6-Dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine
别名:WR99210 hydrochloride(47326-86-3 free base), 6,6-Dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine
IUPAC:6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC:6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,6-dihydro-1,3,5-triazine-2,4-diamine hydrochloride
InChI key:VOTSDCGUYAGUNS-UHFFFAOYSA-N

分子式:C14H19Cl4N5O2
分子量:431.14
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6|
SMILES:Cl.CC1(C)N=C(N)N=C(N)N1OCCCOc1cc(Cl)c(Cl)cc1Cl |t:3,6|

WR99210 hydrochloride 是恶性疟原虫二氢叶酸还原酶 (pfDHFR) 的有效抑制剂，pfDHFR 是主要的疟疾药物靶点。它对野生型、双突变体和四突变体二氢叶酸还原酶具有亚纳摩尔效力。

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